Protein-ligand docking was performed using Autodock Vina[1]}. The whole protein surface search implemented in the Autodock Vina was applied to identify the ligand binding pocket. The center of each protein was set as the center of the binding pocket. The largest distance of the protein atoms to the center of the protein is calculated for each x, y, and z direction to define the edge of each protein. 10 Angstrom of extra space was added to the protein edge to set up the search space for the docking.
